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canSAR646389
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NAMES
    SMILES
    CN1C/C(=C\C=Cc2ccccc2)C(=O)/C(=C/C=Cc2ccccc2)C1.Cl
    InChI
    InChI=1S/C24H23NO.ClH/c1-25-18-22(16-8-14-20-10-4-2-5-11-20)24(26)23(19-25)17-9-15-21-12-6-3-7-13-21;/h2-17H,18-19H2,1H3;1H/b14-8?,15-9?,22-16+,23-17+;
    MOLECULAR FORMULA
    C24H24ClNO
    CROSS REFERENCES
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    canSAR646389

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 377.15
    AlogP 5.20
    HBond donors 0
    HBond acceptors 2
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR646389.